Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50168946
Substrate
n/a
Meas. Tech.
ChEMBL_1577556 (CHEMBL3807032)
Ki
535±n/a nM
Citation
 Schmitz, J; Li, T; Bartz, U; Gütschow, M Cathepsin B Inhibitors: Combining Dipeptide Nitriles with an Occluding Loop Recognition Element by Click Chemistry. ACS Med Chem Lett 7:211-6 (2016) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Homo sapiens (Human)
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM50168946
Synonyms:
CHEMBL3805560
Type:
Small organic molecule
Emp. Form.:
C29H25BrN6O4
Mol. Mass.:
601.451
SMILES:
OC(=O)Cn1cc(C[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r|
Structure:
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